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{
"id": "jvasp-37880",
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{
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{
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"structure_string": "Li3 Mn5 Cr2 O12\n1.0\n5.003058 0.100319 -0.101636\n2.495485 4.337421 0.101636\n-0.817917 1.382053 9.703920\nLi Mn Cr O\n3 5 2 12\ndirect\n0.330741 0.827592 0.989494 Li\n0.827593 0.330741 0.510506 Li\n0.924019 0.924020 0.750000 Li\n0.064698 0.064698 0.250000 Mn\n0.415087 0.415087 0.250000 Mn\n0.577946 0.577946 0.750000 Mn\n0.507734 0.010840 0.511307 Mn\n0.010840 0.507733 0.988693 Mn\n0.255257 0.255257 0.750000 Cr\n0.764145 0.764146 0.250000 Cr\n0.709266 0.465349 0.144847 O\n0.612811 0.853326 0.864130 O\n0.465348 0.709266 0.355153 O\n0.779452 0.044821 0.374128 O\n0.232485 0.963982 0.635139 O\n0.131809 0.358991 0.360356 O\n0.298031 0.542850 0.860299 O\n0.358992 0.131810 0.139644 O\n0.044821 0.779452 0.125872 O\n0.963983 0.232486 0.864861 O\n0.542850 0.298031 0.639701 O\n0.853326 0.612812 0.635870 O\n",
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{
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"structure_string": "Li2 V1 C2 O6\n1.0\n4.751947 0.000000 0.000000\n-2.375974 1.371768 5.285740\n2.375975 -4.115307 -0.000000\nLi V C O\n2 1 2 6\ndirect\n0.204565 0.613693 0.204564 Li\n0.795436 0.386307 0.795436 Li\n0.000000 0.000000 0.000000 V\n0.413748 0.241243 0.413748 C\n0.586252 0.758757 0.586252 C\n0.304724 0.757033 0.601594 O\n0.398406 0.242967 0.149284 O\n0.149283 0.242967 0.695276 O\n0.850717 0.757033 0.304724 O\n0.601594 0.757033 0.850716 O\n0.695276 0.242967 0.398406 O\n",
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{
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"structure_string": "Be2 Fe1 Co1\n1.0\n-1.880133 1.880133 2.658371\n1.880133 -1.880133 2.658371\n1.880133 1.880133 -2.658371\nBe Fe Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Fe\n0.500000 0.500000 0.000000 Co\n",
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{
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"structure_string": "Li4 Fe2 F8\n1.0\n4.981479 -0.030255 -0.000000\n-4.172654 2.721215 0.000000\n0.000000 0.000000 9.798950\nLi Fe F\n4 2 8\ndirect\n0.623773 0.376226 0.063152 Li\n0.623773 0.376226 0.436848 Li\n0.376228 0.623774 0.563152 Li\n0.376228 0.623774 0.936848 Li\n0.875750 0.124248 0.250000 Fe\n0.124251 0.875752 0.750000 Fe\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.536069 0.463932 0.250000 F\n0.726358 0.273641 0.618532 F\n0.726358 0.273641 0.881468 F\n0.463932 0.536069 0.750000 F\n0.273643 0.726359 0.118532 F\n0.273643 0.726359 0.381468 F\n",
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{
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"created_at": "2022-09-04T14:36:10.286555Z",
"updated_at": "2022-09-04T14:36:10.286582Z",
"structure_string": "Os4 N8\n1.0\n4.934389 0.000000 0.000000\n0.000000 4.570926 -1.898545\n0.000000 0.037094 4.985573\nOs N\n4 8\ndirect\n0.497246 0.231632 0.720468 Os\n0.502755 0.768368 0.279530 Os\n0.997246 0.768367 0.779530 Os\n0.002754 0.231633 0.220469 Os\n0.401605 0.806329 0.694100 N\n0.098395 0.806329 0.194101 N\n0.089933 0.323335 0.673075 N\n0.410067 0.323336 0.173076 N\n0.910067 0.676665 0.326923 N\n0.589933 0.676664 0.826923 N\n0.901605 0.193671 0.805897 N\n0.598395 0.193671 0.305898 N\n",
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{
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"structure_string": "Os4 N8\n1.0\n4.934389 0.000000 0.000000\n0.000000 4.570926 -1.898545\n0.000000 0.037094 4.985573\nOs N\n4 8\ndirect\n0.497246 0.231632 0.720468 Os\n0.502755 0.768368 0.279530 Os\n0.997246 0.768367 0.779530 Os\n0.002754 0.231633 0.220469 Os\n0.401605 0.806329 0.694100 N\n0.098395 0.806329 0.194101 N\n0.089933 0.323335 0.673075 N\n0.410067 0.323336 0.173076 N\n0.910067 0.676665 0.326923 N\n0.589933 0.676664 0.826923 N\n0.901605 0.193671 0.805897 N\n0.598395 0.193671 0.305898 N\n",
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{
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"structure_string": "H20 C26 O2\n1.0\n5.210263 -0.088523 1.094767\n0.279900 8.729062 0.584224\n-0.602803 -0.621964 9.750277\nH C O\n20 26 2\ndirect\n0.889863 0.788990 0.988100 H\n0.678115 0.576645 0.387293 H\n0.678116 0.576646 0.887294 H\n0.282754 0.097626 0.169772 H\n0.652988 0.336092 0.553005 H\n0.652987 0.336091 0.053003 H\n0.267381 0.832782 0.818633 H\n0.267379 0.832782 0.318633 H\n0.055333 0.616622 0.719240 H\n0.055332 0.616621 0.219240 H\n0.282755 0.097627 0.669772 H\n0.855472 0.104510 0.936394 H\n0.850750 0.897783 0.791419 H\n0.850746 0.897784 0.291416 H\n0.873056 -0.001816 0.636339 H\n0.873054 -0.001816 0.136339 H\n0.079177 0.331811 0.285549 H\n0.079181 0.331811 0.785549 H\n0.889864 0.788990 0.488099 H\n0.855473 0.104510 0.436394 H\n0.584422 0.083440 0.295097 C\n0.353455 0.585008 0.047790 C\n0.353454 0.585007 0.547790 C\n0.704082 0.753491 0.037912 C\n0.704084 0.753493 0.537913 C\n0.363560 0.148392 0.754577 C\n0.248942 0.280393 0.318445 C\n0.588156 0.632906 0.981655 C\n0.588155 0.632905 0.481653 C\n0.363559 0.148392 0.254578 C\n0.584420 0.083443 0.795098 C\n0.248940 0.280394 0.818445 C\n0.352579 0.347406 0.425931 C\n0.356185 0.778034 0.723037 C\n0.590798 0.828869 0.658387 C\n0.590799 0.828869 0.158386 C\n0.683255 0.153023 0.403669 C\n0.683258 0.153024 0.903670 C\n0.237424 0.656674 0.668845 C\n0.237423 0.656674 0.168845 C\n0.571650 0.284272 0.469059 C\n0.571653 0.284272 0.969060 C\n0.356182 0.778033 0.223037 C\n0.734012 0.951730 0.719671 C\n0.734011 0.951731 0.219676 C\n0.352583 0.347404 0.925930 C\n0.218894 0.471804 -0.007178 O\n0.218896 0.471804 0.492822 O\n",
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{
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"structure_string": "Mg2 H12 C10 O8\n1.0\n6.171692 -0.102156 1.107783\n1.164972 6.540657 0.596264\n0.023679 0.244495 7.448251\nMg H C O\n2 12 10 8\ndirect\n0.032485 0.883003 0.570051 Mg\n0.523060 0.808227 0.692154 Mg\n0.084781 0.228348 0.114562 H\n0.399902 0.317278 0.108705 H\n0.797426 0.371748 0.562168 H\n0.619614 0.464381 0.125611 H\n0.547583 0.742664 0.269247 H\n0.348334 0.953507 0.213919 H\n0.003939 0.478371 0.937232 H\n0.227714 0.626089 0.147938 H\n0.823312 0.714993 0.966782 H\n-0.022228 0.784203 0.218401 H\n0.863472 0.266370 0.877816 H\n0.584723 0.995131 0.297893 H\n0.564809 0.350102 0.060047 C\n0.048586 0.636249 0.165681 C\n0.694737 0.244126 -0.069884 C\n0.969866 0.464870 0.301322 C\n0.461018 0.892754 0.311208 C\n0.009001 0.257724 0.256733 C\n-0.009856 0.634334 0.974572 C\n0.616351 0.089696 0.846757 C\n0.862534 0.499849 0.476508 C\n0.275704 0.329966 0.596389 C\n0.828311 0.673792 0.548426 O\n0.348164 0.871700 0.494635 O\n0.432205 0.338176 0.490977 O\n0.425881 0.041277 0.886523 O\n0.130657 0.737178 0.832439 O\n0.753836 -0.005651 0.720414 O\n0.968327 0.103555 0.366113 O\n0.351188 0.601448 0.827357 O\n",
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{
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"updated_at": "2022-09-04T14:38:03.797356Z",
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{
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}